SCHEMBL3267405

SCHEMBL3267405

O=C(NCCCCc1ccccc1)[C@H]1CNCC[C@H]1C(=O)NCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.62
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TAAR1 Q96RJ0 3/20 0.53
EPHX1 P07099 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
FKBP1A P62942 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3923366 1.00 MC4R (0.62) MC4RKMT2AALDH1A1TAAR1EPHX1
SCHEMBL13938122 1.00 MC4R (0.62) MC4RKMT2AALDH1A1TAAR1EPHX1
SCHEMBL3267496 1.00 MC4R (0.62) MC4RKMT2AALDH1A1TAAR1EPHX1
SCHEMBL3267409 1.00 MC4R (0.62) MC4RKMT2AALDH1A1TAAR1EPHX1
SCHEMBL22178742 0.82 MC4R (0.88) MC4RKMT2AALDH1A1TAAR1EPHX1
Hydrochloric Acid SCHEMBL22160650 0.81 MC4R (0.86) MC4RKMT2AALDH1A1TAAR1POLB
SCHEMBL4597877 0.81 TAAR1 (0.65) KMT2AALDH1A1TAAR1EPHX1TRPV1
SCHEMBL13743588 0.80 TAAR1 (0.77) KMT2AALDH1A1TAAR1EPHX1TRPV1
SCHEMBL12420662 0.79 MTNR1A (0.56) MC4RKMT2AALDH1A1EPHX1GAA
Hydrochloric Acid SCHEMBL28291774 0.77 MC4R (0.75) MC4RKMT2AALDH1A1TAAR1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7135483-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-11-14 US disclosed
US-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-10-05 US disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCB11 MC4R 3004/4885KMT2A 3027/4885ALDH1A1 540/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 MC4R 4163/4885KMT2A 2975/4885ALDH1A1 351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.